General Information of the Protein
Protein ID
PT00057
Protein Name
Dihydrofolate reductase
Gene Name
DFRA
Secondarily
Gene Name
GBAA_2237
Sequence
MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVAHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEMDMTNWKEVFVEKGLTDEKNPYTYYYHVYEKQQ
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Organism
Bacillus anthracis
Protein Classification
Enzyme
>
Oxidoreductase
Function
Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
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Uniprot ID
Primary ID:
Q81R22

Secondarily ID:
A0A2B6BBC4
A0A6L7HIW5
E9R6R2
E9R6R3
E9R6R4
Q68SA0
Q6HZ92
Q6KT86
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Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000338 , DV3-M15
Compound ID Compound Name Compound Formula
CP0305998
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
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C17H20N4O2
 1
1
IC50 = 890 nM
   TI
   LI
   LO
   TS
CP0166647
6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C18H22N4O3
 1
1
IC50 = 942 nM
   TI
   LI
   LO
   TS
CP0058677
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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C16H18N4O2
 1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS
CP0340472
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C15H16N4O2
 1
1
IC50 = 1700 nM
   TI
   LI
   LO
   TS
CP0064461
5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C16H18N4O3
 1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
CP0310124
6-ethyl-5-(3-phenylprop-1-yn-1-yl)pyrimidine-2,4-diamine
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C15H16N4
 1
1
IC50 = 3200 nM
   TI
   LI
   LO
   TS
CP0036674
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C17H20N4O3
 1
1
IC50 = 3700 nM
   TI
   LI
   LO
   TS
CP0064464
5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
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C17H20N4O3
 1
1
IC50 = 4800 nM
   TI
   LI
   LO
   TS
CP0158181
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-propylpyrimidine-2,4-diamine
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C18H22N4O2
 1
1
IC50 = 5500 nM
   TI
   LI
   LO
   TS
CP0137813
5-[3-(2,3-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
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C17H20N4O2
 1
1
IC50 = 9200 nM
   TI
   LI
   LO
   TS
CP0072924
3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
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C17H20N4O4
 1
1
IC50 = 14500 nM
   TI
   LI
   LO
   TS
CP0290530
3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
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C16H18N4O4
 1
1
IC50 = 21200 nM
   TI
   LI
   LO
   TS
CP0293079
5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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C18H22N4O4
 1
1
IC50 = 29100 nM
   TI
   LI
   LO
   TS
CP0072925
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
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C18H22N4O3
 1
1
IC50 = 30300 nM
   TI
   LI
   LO
   TS
CP0035945
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
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C14H18N4O3
 1
1
IC50 = 71000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
Compound ID Compound Name Compound Formula
CP0305998
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
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C17H20N4O2
 2
1 IC50 = 890 nM
2 Ki = 300 nM
CP0166647
6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C18H22N4O3
 2
1 IC50 = 942 nM
2 Ki = 320 nM
CP0058677
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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C16H18N4O2
 2
1 IC50 = 1060 nM
2 Ki = 360 nM
CP0036674
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine
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C17H20N4O3
 2
1 IC50 = 3700 nM
2 Ki = 1250 nM
CP0072924
3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol
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C17H20N4O4
 2
1 IC50 = 14500 nM
2 Ki = 4890 nM
CP0293079
5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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C18H22N4O4
 2
1 IC50 = 29100 nM
2 Ki = 9810 nM
CP0072925
6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine
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C18H22N4O3
 2
1 IC50 = 30300 nM
2 Ki = 10200 nM
CP0035945
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
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C14H18N4O3
 3
1 IC50 = 71400 nM
2 IC50 = 77000 nM
3 Ki = 24100 nM